Tag: M.W=300-400

New research progress on 6825-20-3 in 2021.Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis, new energy materials, preparation and modification of special coatings. 6825-20-3, Name is 3,6-Dibromo-9H-carbazole, molecular formula is , belongs to benzoxazole compound. In a document, author is Kiran, Kuppalli R., Synthetic Route of 6825-20-3.

o-Phenylenediammines ando-aminophenols were reacted with alpha-oxodithioesters in a highly regioselective fashion to give 2-methylthio-3-aryl/heteroarylquinoxalines and 2-acylbenzoxazoles in 55-94% and 45-86%, respectively, in the presence ofp-toluene sulfonic acid catalyst. Control experiments involving reaction of aniline with a alpha-oxodithioester indicated that the thiocarbonyl group is more reactive than the carbonyl group. Based on this, probable mechanisms for the formation of quinoxalines and benzoxazoles are given. Biological targets of the quinoxalines and benzoxazoles were identified by bioinformatics. It was found that quinoxalines have good binding affinity with human dual-specificity tyrosine-phosphorylation-regulated kinase 1A and benzoxazoles with human carboxylesterase.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 6825-20-3, Name is 3,6-Dibromo-9H-carbazole, molecular formula is , belongs to benzoxazole compound. In a document, author is Ogawa, Shin-ichiro, Application In Synthesis of 3,6-Dibromo-9H-carbazole.

Pharmacokinetics and metabolism of recently launched antidyslipidemic drug pemafibrate ((2R)-2-[3-({1,3-benzoxazol-2-yl[3-(4-methoxyphenoxy)propyl]amino}methyl)phenoxy]butanoic acid) was investigated in chimeric mice with humanized liver in the present study. The plasma unbound fractions of [C-14]pemafibrate in mice (0.0046-0.0048) were higher than those in monkeys and humans (0.0015-0.0022). In chimeric mice with humanized liver intravenously treated with pemafibrate at 1.0 mg/kg body weight, the pharmacokinetic parameters (CLtotal, V-ss and AUC(0-inf)) of unbound pemafibrate in chimeric mice with humanized liver were more similar to those reported in monkeys and humans than those in control mice. High concentrations of N-dealkylated form (M4) and benzoxazole 6-hydroxylated form (M6) of pemafibrate in plasma were observed as the main circulating metabolites in chimeric mice with humanized liver treated with pemafibrate. Moreover, the concentrations of other specified metabolites of pemafibrate were much higher in chimeric mice with humanized liver than in control mice. These results suggest that there are species differences in the pharmacokinetics of pemafibrate in vivo between mice tested and humans reported. Moreover, chimeric mice with humanized liver seem to be a beneficial animal model for further studies to predict the circulating human metabolites of pemafibrate and their pharmacokinetics.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 6825-20-3, Name is 3,6-Dibromo-9H-carbazole, molecular formula is , belongs to benzoxazole compound. In a document, author is Ogawa, Shin-ichiro, Recommanded Product: 3,6-Dibromo-9H-carbazole.

Pharmacokinetics and metabolism of recently launched antidyslipidemic drug pemafibrate ((2R)-2-[3-({1,3-benzoxazol-2-yl[3-(4-methoxyphenoxy)propyl]amino}methyl)phenoxy]butanoic acid) was investigated in chimeric mice with humanized liver in the present study. The plasma unbound fractions of [C-14]pemafibrate in mice (0.0046-0.0048) were higher than those in monkeys and humans (0.0015-0.0022). In chimeric mice with humanized liver intravenously treated with pemafibrate at 1.0 mg/kg body weight, the pharmacokinetic parameters (CLtotal, V-ss and AUC(0-inf)) of unbound pemafibrate in chimeric mice with humanized liver were more similar to those reported in monkeys and humans than those in control mice. High concentrations of N-dealkylated form (M4) and benzoxazole 6-hydroxylated form (M6) of pemafibrate in plasma were observed as the main circulating metabolites in chimeric mice with humanized liver treated with pemafibrate. Moreover, the concentrations of other specified metabolites of pemafibrate were much higher in chimeric mice with humanized liver than in control mice. These results suggest that there are species differences in the pharmacokinetics of pemafibrate in vivo between mice tested and humans reported. Moreover, chimeric mice with humanized liver seem to be a beneficial animal model for further studies to predict the circulating human metabolites of pemafibrate and their pharmacokinetics.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 136630-39-2, Name is 2,7-Dibromo-9H-carbazole, molecular formula is C12H7Br2N. In an article, author is Sbarcea, Laura,once mentioned of 136630-39-2, Electric Literature of 136630-39-2.

Risperidone (RSP) is an atypical antipsychotic drug which acts as a potent antagonist of serotonin-2 (5TH2) and dopamine-2 (D2) receptors in the brain; it is used to treat schizophrenia, behavioral and psychological symptoms of dementia and irritability associated with autism. It is a poorly water soluble benzoxazole derivative with high lipophilicity. Supramolecular adducts between drug substance and two methylated beta-cyclodextrins, namely heptakis(2,6-di-O-methyl)-beta-cyclodextrin (DM-beta-CD) and heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin (TM-beta-CD) were obtained in order to enhance RSP solubility and improve its biopharmaceutical profile. The inclusion complexes were evaluated by means of thermoanalytical methods (TG-thermogravimetry/DTG-derivative thermogravimetry/HF-heat flow), powder X-ray diffractometry (PXRD), universal-attenuated total reflectance Fourier transform infrared (UATR-FTIR), UV spectroscopy and saturation solubility studies. Job’s method was employed for the determination of the stoichiometry of the inclusion complexes, which was found to be 2:1 for both guest-host systems. Molecular modeling studies were carried out for an in-depth characterization of the interaction between drug substance and cyclodextrins (CDs). The physicochemical properties of the supramolecular systems differ from those of RSP, demonstrating the inclusion complex formation between drug and CDs. The RSP solubility was enhanced as a result of drug encapsulation in the CDs cavity, the higher increase being obtained with DM-beta-CD as host; the guest-host system RSP/DM-beta-CD can thus be a starting point for further research in developing new formulations containing RSP, with enhanced bioavailability.

Electric Literature of 136630-39-2, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 136630-39-2.

Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis.92-86-4, Name is 4,4′-Dibromobiphenyl, molecular formula is C12H8Br2. In an article, author is Weng, Qiang,once mentioned of 92-86-4, SDS of cas: 92-86-4.

Fluorinated aromatics is generally chosen as mesogenic cores to design novel liquid crystal compounds. Here, a series of benzoxazole derivatives with laterally multifluorinated biphenyl units, 2-(3 ‘,3-difluoro -4 ‘-alkoxy-1,1 ‘-biphenyl-4-yl)-benzoxazole derivatives (coded as nPF(3)PF(3)Bx), are synthesized and characterized, where methyl and nitro moieties are selected as terminal groups to investigate the effects of different polar substituents on the liquid crystal properties. The compounds nPF(3)PF(3)Bx show enantiotropic mesophases with mesophase ranges of 0-40 degrees C and 0-63 degrees C on heating and cooling for hydrogen-terminated derivatives (nPF(3)PF(3)BH), 43-93 degrees C and 54-123 degrees C for methyl-terminated ones (nPF(3)PF(3)BM), 60-108 degrees C and 74-152 degrees C for nitro terminated ones (nPF(3)PF(3)BN), respectively. They exhibit photoluminescence emission peaks at 390-392 nm and UV-vis absorption bands with maxima at 327-330 nm, respectively. The results reveal that lateral multifluoro substituents lead to a decrease in melting/clearing points, while electron-withdrawing terminal nitro moiety results in increases in both melting point and mesophase range. [GRAPHICS] .

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021.The dynamic chemical diversity of the numerous elements, ions and molecules that constitute the basis of life provides wide challenges and opportunities for research. 136630-39-2, Name is 2,7-Dibromo-9H-carbazole, molecular formula is , belongs to benzoxazole compound. In a document, author is Kumar, Jogendra, Formula: https://www.ambeed.com/products/136630-39-2.html.

The Pd(OAc)(2)/PhI(OAc)(2) catalyst system promotes the highly regioselective dehydrogenative methoxylation of a C(sp(3))-H bond adjacent to benzoxazole and benzothiazole rings. The title transformation constitutes the first example of a Pd-catalyzed C(sp(3))-H activating methoxylation at the proximal-selective a-position with regard to a directing auxiliary and provides expedient access to an important class of azole-decorated methyl ethers (up to 90% isolated yield). The synthetic practicality of the methodology was demonstrated by achieving a-methoxyacetic acids via the elimination of the benzoxazole auxiliaries and by obtaining the precursor of an O-methylated Breslow intermediate.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals. In an article, author is Gan, Feng, once mentioned the application of 136630-39-2, COA of Formula: https://www.ambeed.com/products/136630-39-2.html, Name is 2,7-Dibromo-9H-carbazole, molecular formula is C12H7Br2N, molecular weight is 325, MDL number is MFCD09033507, category is benzoxazole. Now introduce a scientific discovery about this category.

Simultaneously achieving excellent mechanical properties and superior gas separation performance remains a great challenge for thermally rearranged polymers when applied as the membrane materials in large scale gas separation applications. Herein, different heteroaromatic non-TR-able codiamines containing benzimidazole/benzoxazole structures were incorporated into ortho-hydroxyl functionalized polyimide backbones, which were subsequently transformed into the poly(benzoxazole-co-polyimide) copolymers by thermal rearrangement (TR). In all cases, the solid-state TR reaction induces the increased preferential intersegmental distances (d-spacing) and fractional free volumes of polymer chains, favorable for the gas permeation. While, the pi-pi stacking distance exhibits opposite variation tendencies for benzimidazole-based and benzoxazole-based TR-PBOI membranes, which is demonstrated to make a significant effect on the gas selectivity. These TR-PBOI membranes thermally treated at 420 degrees C for 1 h exhibit higher tensile properties in relative to most of previously reported TR-PBOI membranes with the tensile strength of 97-118 MPa and initial modulus of 2.0-2.4 GPa. Moreover, incorporating heteroaromatic non-TR-able codiamines endows the resultant TR-PBOI membranes with excellent gas separation properties for the CO2/CH4 gas pairs with the CO2 permeability and CO2/CH4 ideal selectivity values exceeding the 1991 upper bound and close to 2008 upper bound. We anticipate this facile method will facilitate the large-scale preparation and application of TR membranes for gas separation.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New discoveries in chemical research and development in 2021. Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals. In an article, author is Latysheva, Alexandra S., once mentioned the application of 92-86-4, Computed Properties of https://www.ambeed.com/products/92-86-4.html, Name is 4,4′-Dibromobiphenyl, molecular formula is C12H8Br2, molecular weight is 311.9999, MDL number is MFCD00000101, category is benzoxazole. Now introduce a scientific discovery about this category.

Seven new oxazoline, benzoxazole and benzimidazole derivatives were synthesized from 3 beta-acetoxyandrosta-5,16-dien-17-carboxylic, 3 beta-acetoxyandrost-5-en-17 beta-carboxylic and 3 beta-acetoxypregn-5-en-21-oic acids. Docking to active site of human 17 alpha-hydroxylase/17,20-lyase revealed that all oxazolines, as well as benzoxazoles and benzimidazoles comprising Delta(16) could form stable complexes with enzyme, in which steroid moiety is positioned similarly to that of abiraterone and galeterone, and nitrogen atom coordinates heme iron, while 16,17-saturated benzoxazoles and benzimidazoles could only bind in a position where heterocycle is located nearly parallel to heme plane. Modeling of the interaction of new benzoxazole and benzimidazole derivatives with androgen receptor revealed the destabilization of helix 12, constituting activation function 2 (AF2) site, by mentioned compounds, similar to one induced by known antagonist galeterone. The synthesized compounds inhibited growth of prostate carcinoma LNCaP and PC-3 cells at 96 h incubation; the potency of 2′-(3-hydroxyandrosta-5,16-dien-17-yl)-4′,5′-dihydro-1′,3′-oxazole and 2′-(3 beta-hydroxyandrosta-5,16-dien-17-yl)-benzimidazole was superior and could inspire further investigations of these compounds as potential anti-cancer agents.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

New Advances in Chemical Research in 2021. Catalysts are in the same phase as the reactants. Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 307-24-4, Name is Undecafluorohexanoic acid, molecular formula is , belongs to benzoxazole compound. In a document, author is Mizojiri, Ryo, Application In Synthesis of Undecafluorohexanoic acid.

In our effort to explore the potential of ACC1-selective inhibitor as in vivo probe molecule, a series of 1,3-benzoxazole derivatives was synthesized. Previously, we reported a series of novel bicyclic and monocyclic ACC1-selective inhibitors. Among them, compound 1a exhibited highly potent cellular activity (acetate uptake IC50 = 0.76 nM) as well as promising in vivo PD efficacy. However, compound 1a caused severe body weight reduction in repeated dose administration in the mouse model. Since 1a showed potent inhibitory activity against mouse ACC1 as well as strong inhibition of mouse ACC2, we further examined a series of 1a analogues in order to reduce undesirable body weight change. The replacement of acetamide moiety with ureido moiety dramatically improved selectivity of mouse ACC1 against ACC2. In addition, analogue 1b displayed favorable bioavailability in mouse cassette dosing PK study, hence in vivo PD studies were also carried out. Oral administration of 1b significantly reduced the concentration of malonyl-CoA in HCT-116 xenograft tumors at doses of more than 30 mg/kg. Furthermore, compound 1b showed significant antitumor efficacy in 786-O xenograft mice at an oral dose of 30 mg/kg (T/C = 0.5%). Accordingly, our novel potent ACC1-selective inhibitor represents a set of useful orally-available research tools, as well as potential therapeutic agents particularly in terms of new cancer therapies.

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem

Research speed reading in 2021. Catalysts allow a reaction to proceed that has a lower activation energy than the uncatalyzed reaction. In heterogeneous catalysis, catalysts provide a surface to which reactants bind in a process of adsorption. 6825-20-3, Name is 3,6-Dibromo-9H-carbazole, molecular formula is , belongs to benzoxazole compound. In a document, author is Wang, Cong, Product Details of 6825-20-3.

A new cuprous coordination polymer (CP) with 2,2-(1,4-butanediyl)bis-1,3-benzoxazole (BBO) and triphenylphosphine sulfide (SPPh3) ligands, {[Cu(BBO)(SPPh3)]ClO4}(n) (1), has been characterized by elemental analysis, UV-Vis, infrared spectra and single-crystal X-ray diffraction. The structural analysis revealed that 1 exhibits a one-dimensional CP and is in a three-coordinate slightly distorted trigonal planar environment in which the total angle around the copper(I) atom is 359.2 degrees. Solid luminescence properties investigation showed that 1 had one emission peak at 428 nm (lambda(ex) = 355 nm, blue luminescence), which may be attributed to MLCT [(d(10)(Cu)->pi*]. The cyclic voltammogram of 1 represents irreversible Cu2+/Cu+ pairs. The antioxidant activity experiment shows that 1 has the potential ability to scavenge hydroxyl and superoxide radical in vitro studies. [GRAPHICS] .

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Reference:
Benzoxazole – Wikipedia,
,Benzoxazole | C7H5NO – PubChem